4-{[5-(4-bromophenyl)-1-(2,4-dinitroanilino)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[5-(4-bromophenyl)-1-(2,4-dinitroanilino)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[5-(4-bromophenyl)-1-(2,4-dinitroanilino)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8013-5926 |
| Compound Name: | 4-{[5-(4-bromophenyl)-1-(2,4-dinitroanilino)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 618.4 |
| Molecular Formula: | C27 H20 Br N7 O6 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C1/C=C(c2ccc(cc2)[Br])N(C1=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7986 |
| logD: | 4.7986 |
| logSw: | -4.6651 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.769 |
| InChI Key: | LBCIBXLZEIPSTM-UHFFFAOYSA-N |